SCHEMBL6964321

SCHEMBL6964321

COc1ccc(-c2[nH]nc(C3CCN(c4ccccc4)CC3)c2N=C=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAP4K1 Q92918 2/20 0.38
LCK P06239 1/20 0.38
MAP4K3 Q8IVH8 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6974762 0.87 LCAT (0.37) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL6956633 0.84 MAPT (0.44) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL6960085 0.82 MAPT (0.47) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6977630 0.82 MAPT (0.38) MAPTALDH1A1PIM1PIM3HTR7
SCHEMBL6954193 0.81 ALDH1A1 (0.44) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL6964319 0.78 MAPT (0.40) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL6966890 0.73 KIT (0.47) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL6968664 0.73 MAP4K1 (0.46) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL6959299 0.72 MEN1 (0.42) MAPTHPGDPIM1PIM3MAP4K1
SCHEMBL6966648 0.72 TP53 (0.41) MAPTALDH1A1HPGDSMN1; SMN2MAP4K1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945439-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed